Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 12/20 | 0.51 |
| ▸ | PDGFRB | P09619 | 9/20 | 0.51 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31122079 | 1.00 | KDR (0.51) | KDRPDGFRBTP53KDM4ESLC9A1 | |
| Benzene SCHEMBL28136154 | 0.98 | KDR (0.50) | KDRPDGFRBTP53KDM4ESLC9A1 | |
| Hydrochloric Acid SCHEMBL28136871 | 0.98 | KDR (0.50) | KDRPDGFRBTP53KDM4ESLC9A1 | |
| SCHEMBL28136870 | 0.92 | KDR (0.49) | KDRPDGFRBTP53KDM4ETSHR | |
| Maleic Acid SCHEMBL28136866 | 0.91 | KDR (0.45) | KDRPDGFRBTP53KDM4ESLC9A1 | |
| Fumaric Acid SCHEMBL28136873 | 0.91 | KDR (0.45) | KDRPDGFRBTP53KDM4ESLC9A1 | |
| Succinic Acid SCHEMBL28136152 | 0.91 | OXER1 (0.47) | KDRPDGFRBTP53KDM4EMEN1 | |
| Malic Acid SCHEMBL28136944 | 0.83 | OXER1 (0.41) | KDRPDGFRBTP53KDM4ETSHR | |
| SCHEMBL28548039 | 0.83 | POLB (0.52) | TP53KDM4EMCL1TSHRMEN1 | |
| SCHEMBL5967722 | 0.83 | MCL1 (0.49) | TP53KDM4EMCL1TSHRMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108367000-A | THERAPEUTIC AGENT FOR BREAST CANCER | 卫材R&D管理有限公司 | 2018-08-03 | — | — | CN | claimed |
| CN-105073730-B | monocyclic pyridine derivatives | 卫材R&D管理有限公司 | 2017-10-13 | — | — | CN | claimed |
| CN-107205996-A | Therapeutic agent for bile duct cancer | 国立癌症研究中心 | 2017-09-26 | — | — | CN | claimed |
| CN-106660997-A | Salts of monocyclic pyridine derivatives and crystals thereof | 卫材R&D管理有限公司 | 2017-05-10 | — | — | CN | claimed |
| CN-110878070-B | Method for preparing asymmetric urea compound | 中国科学院化学研究所 | 2021-08-31 | — | — | CN | disclosed |
| CN-110878070-A | Method for preparing asymmetric urea compound | 中国科学院化学研究所 | 2020-03-13 | — | — | CN | disclosed |
| CN-106660997-B | Salts of monocyclic pyridine derivatives and crystals thereof | 卫材R&D管理有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-108367000-A | THERAPEUTIC AGENT FOR BREAST CANCER | 卫材R&D管理有限公司 | 2018-08-03 | — | — | CN | disclosed |
| CN-105073730-B | monocyclic pyridine derivatives | 卫材R&D管理有限公司 | 2017-10-13 | — | — | CN | disclosed |
| CN-107205996-A | Therapeutic agent for bile duct cancer | 国立癌症研究中心 | 2017-09-26 | — | — | CN | disclosed |
| CN-106660997-A | Salts of monocyclic pyridine derivatives and crystals thereof | 卫材R&D管理有限公司 | 2017-05-10 | — | — | CN | disclosed |
| EP-0810991-B1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1999-04-14 | — | — | EP | disclosed |
| EP-0810991-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | Novartis AG (CH) | 1997-12-10 | — | — | EP | disclosed |
| WO-1996026183-A1 | 1-ARYL-2-ACYLAMINO-ETHANE COMPOUNDS AND THEIR USE AS NEUROKININ ESPECIALLY NEUROKININ 1 ANTAGONISTS | NOVARTIS AG (CH) | 1996-08-29 | — | — | WO | disclosed |